2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide

C15H23N3O3 — CID 115950482

IUPAC2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-18-6-4-10(5-7-18)17-15(19)12-8-11(20-2)9-13(21-3)14(12)16/h8-10H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyNOFNNPJYGZHIMJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide

2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 115950482) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID115950482
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-18-6-4-10(5-7-18)17-15(19)12-8-11(20-2)9-13(21-3)14(12)16/h8-10H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyNOFNNPJYGZHIMJ-UHFFFAOYSA-N
XLogP1.11
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate
CID 115950808
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
CID 20689433
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
4-amino-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
CID 160693193
(2-amino-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 112606053
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
(2-amino-3,5-dimethoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667097

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide (CID 115950482) is 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide is COc1cc(OC)c(N)c(C(=O)NC2CCN(C)CC2)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is NOFNNPJYGZHIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18-6-4-10(5-7-18)17-15(19)12-8-11(20-2)9-13(21-3)14(12)16/h8-10H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide?
2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 115950482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).